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5-Methylisothiazole
SpectraBase Compound ID 57tRIv9zNwb
InChI InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey LBBKWEDRPDGXPM-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BxlIWrdzuC
Name Isothiazole, 5-methyl-
CAS Registry Number 693-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey LBBKWEDRPDGXPM-UHFFFAOYSA-N
Molecular Weight 99.151 g/mol
SMILES Cc1ccns1
SPLASH splash10-006t-9000000000-55bc33e340c0c369aeff
Source of Spectrum AD-0-5717-0
Synonyms 5-Methyl-1,2-thiazole 5-Methylisothiazole
Wiley ID 1119084